151434 -OEChem-02102015353D 31 32 0 1 0 0 0 0 0999 V2000 -3.4821 -1.2672 -0.4556 P 0 0 2 0 0 0 0 0 0 0 0 0 -3.8340 1.5944 0.1285 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -1.1838 -0.4426 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9648 0.0088 0.4119 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8318 -2.5217 0.5042 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0921 -1.3465 -1.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 2.5113 0.0774 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6805 2.2538 1.3371 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7788 1.8218 -1.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4255 2.0913 -0.0117 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8432 0.1801 0.3946 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3134 -0.8144 -0.1586 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3705 -2.1705 0.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1771 1.5625 -0.2385 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2064 0.4262 -0.5383 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2908 -1.0381 0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1746 -1.1046 0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 0.1896 0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9441 -0.9577 0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0401 -2.1914 0.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8148 1.5118 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8538 0.4442 -0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4217 -1.9752 1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4982 -0.2107 1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6041 -3.1769 0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8763 -1.6534 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7593 -3.4304 0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7285 1.2865 -0.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7232 -0.4449 -0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6828 3.2295 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8044 2.7081 -1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 3 17 1 0 0 0 0 5 27 1 0 0 0 0 7 21 2 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 11 16 1 0 0 0 0 11 18 2 0 0 0 0 12 19 1 0 0 0 0 12 22 1 0 0 0 0 12 26 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 2 0 0 0 0 15 22 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 20 25 1 0 0 0 0 M END > DB04047 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AMDUVUKDRBIVAH-UHFFFAOYSA-N/SDF?record_type=3d > [H]N([H])C1=NC(=O)C2=NC(COP(O)(=O)OP(O)(O)=O)=CN=C2N1[H] > InChI=1S/C7H9N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1H,2H2,(H,17,18)(H2,14,15,16)(H3,8,9,11,12,13) > AMDUVUKDRBIVAH-UHFFFAOYSA-N > C7H9N5O8P2 > 353.1226 > 352.992635313 > 11 > 31 > -2.430240023789317 > 26.774141901603045 > 0 > 5 > 0 > 0 > ({[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methoxy](hydroxy)phosphoryl}oxy)phosphonic acid > -1.06 > -1.9280685212667887 > -1.82 > 0 > -2 > 2 > -3 > 3.1978763655365965 > 1.8146550227677052 > 0.8438332634013725 > 206.55000000000004 > 69.4225 > 5 > 0 > 5.30e+00 g/l > nadph > 0 $$$$